CID 392102

Nsc691969

Structural Information

Molecular Formula

C₂₀H₄₁O₄P

SMILES

CCCCCCCCCCCCCCCCCCOP1(=O)OCCO1

InChI

InChI=1S/C20H41O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(21)23-19-20-24-25/h2-20H2,1H3

InChIKey

VZEOMTOGOOFQRF-UHFFFAOYSA-N

Compound name

2-octadecoxy-1,3,2lambda5-dioxaphospholane 2-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 376.27426 Da
Monoisotopic Mass: 8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	377.28154	203.2
[M+Na]+	399.26348	204.2
[M-H]-	375.26698	203.8
[M+NH4]+	394.30808	216.6
[M+K]+	415.23742	203.3
[M+H-H2O]+	359.27152	194.1
[M+HCOO]-	421.27246	225.9
[M+CH3COO]-	435.28811	218.9
[M+Na-2H]-	397.24893	200.8
[M]+	376.27371	212.7
[M]-	376.27481	212.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe